3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile

C14H13N3O — CID 62464085

IUPAC3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile
SMILESCNc1ncccc1COc1cccc(C#N)c1
InChIInChI=1S/C14H13N3O/c1-16-14-12(5-3-7-17-14)10-18-13-6-2-4-11(8-13)9-15/h2-8H,10H2,1H3,(H,16,17)
InChIKeyMEFNBJTXSYGKQY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.57
Rot. Bonds4

About 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile

3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile (PubChem CID 62464085) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile
PubChem CID62464085
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile
SMILESCNc1ncccc1COc1cccc(C#N)c1
InChIInChI=1S/C14H13N3O/c1-16-14-12(5-3-7-17-14)10-18-13-6-2-4-11(8-13)9-15/h2-8H,10H2,1H3,(H,16,17)
InChIKeyMEFNBJTXSYGKQY-UHFFFAOYSA-N
XLogP2.57
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine
CID 62464965
3-[[2-chloro-4-(methylamino)phenyl]methoxy]benzonitrile
CID 67990848
3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 79240035
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
4-[(3-cyanophenoxy)methyl]-3-methylbenzonitrile
CID 114481500
N-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine
CID 62464814
methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate
CID 115460593
3-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 43231297
3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 150029896
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile?
The IUPAC name of 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile (CID 62464085) is 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile.
What is the SMILES notation for 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile?
The canonical SMILES for 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile is CNc1ncccc1COc1cccc(C#N)c1.
What is the InChIKey of 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile?
The InChIKey is MEFNBJTXSYGKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-16-14-12(5-3-7-17-14)10-18-13-6-2-4-11(8-13)9-15/h2-8H,10H2,1H3,(H,16,17).
What are the key properties of 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile?
3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile is sourced from PubChem (CID 62464085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).